2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol

C11H15F2NOS — CID 64821944

IUPAC2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol
SMILESCC(N)(CO)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NOS/c1-11(14,7-15)4-5-16-8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7,14H2,1H3
InChIKeySOVCEEFXSUBPGG-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol

2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol (PubChem CID 64821944) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol
PubChem CID64821944
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol
SMILESCC(N)(CO)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NOS/c1-11(14,7-15)4-5-16-8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7,14H2,1H3
InChIKeySOVCEEFXSUBPGG-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol (CID 64821944) is 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol is CC(N)(CO)CCSc1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol?
The InChIKey is SOVCEEFXSUBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-11(14,7-15)4-5-16-8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7,14H2,1H3.
What are the key properties of 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol?
2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol has a molecular weight of 247.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluorophenyl)sulfanyl-2-methylbutan-1-ol is sourced from PubChem (CID 64821944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).